2-cyclohexyl-2-cyclohexylsulfonylacetic acid

C14H24O4S — CID 150925267

IUPAC2-cyclohexyl-2-cyclohexylsulfonylacetic acid
SMILESO=C(O)C(C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H24O4S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKeyLEWSOTSJVAXJFS-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.77
Rot. Bonds4

About 2-cyclohexyl-2-cyclohexylsulfonylacetic acid

2-cyclohexyl-2-cyclohexylsulfonylacetic acid (PubChem CID 150925267) has the molecular formula C14H24O4S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-cyclohexylsulfonylacetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-cyclohexylsulfonylacetic acid
PubChem CID150925267
Molecular FormulaC14H24O4S
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name2-cyclohexyl-2-cyclohexylsulfonylacetic acid
SMILESO=C(O)C(C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H24O4S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKeyLEWSOTSJVAXJFS-UHFFFAOYSA-N
XLogP2.77
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-cyclohexylsulfonylacetic acid?
The IUPAC name of 2-cyclohexyl-2-cyclohexylsulfonylacetic acid (CID 150925267) is 2-cyclohexyl-2-cyclohexylsulfonylacetic acid.
What is the SMILES notation for 2-cyclohexyl-2-cyclohexylsulfonylacetic acid?
The canonical SMILES for 2-cyclohexyl-2-cyclohexylsulfonylacetic acid is O=C(O)C(C1CCCCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-cyclohexylsulfonylacetic acid?
The InChIKey is LEWSOTSJVAXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16).
What are the key properties of 2-cyclohexyl-2-cyclohexylsulfonylacetic acid?
2-cyclohexyl-2-cyclohexylsulfonylacetic acid has a molecular weight of 288.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-cyclohexylsulfonylacetic acid is sourced from PubChem (CID 150925267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).